Molecule

ID:24561

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₂S
Molecular Mass
306.42308
Exact Mass
306.14019895
Charge
0
InChI
InChI=1S/C16H22N2O2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10,17H2
InChIKey
OYQKPHYUBCDZCK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
S(=O)(=O)(NC12CC3CC(C2)CC(C1)C3)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
10.917169
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.065125
LogD (pH = 7.4)
2.0653124
Log P
2.065433
Molar Refractivity
83.4298
Polarizability
32.972607
Polar Surface Area
72.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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